SCHEMBL13648366

SCHEMBL13648366

CNC(=O)c1cc(Oc2ccc(C)c(NNC(=O)Nc3cc(C)c(Cl)cc3OCCN3CCCC3)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
MAPK14 Q16539 4/20 0.46
KDR P35968 7/20 0.44
FGFR1 P11362 3/20 0.43
DDR2 Q16832 3/20 0.43
HTR1A P08908 3/20 0.41
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.41
MCHR1 Q99705 1/20 0.41
RAF1 P04049 4/20 0.40
ABL1 P00519 3/20 0.40
RIPK2 O43353 2/20 0.40
ABCB11 O95342 2/20 0.40
RET P07949 2/20 0.40
PDGFRB P09619 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
KIT P10721 2/20 0.40
BRAF P15056 2/20 0.40
PDGFRA P16234 2/20 0.40
FLT1 P17948 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13648380 0.94 GSK3B (0.46) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL13648405 0.90 GSK3B (0.47) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL5569661 0.89 GSK3B (0.60) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL13648395 0.88 GSK3B (0.51) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL171401 0.87 DDR2 (0.55) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL13648379 0.86 DDR2 (0.52) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL171224 0.86 DDR2 (0.49) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL5565578 0.86 RET (0.54) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL171252 0.84 DDR2 (0.54) GSK3BMAPK14KDRFGFR1DDR2
SCHEMBL15575261 0.84 DDR2 (0.55) GSK3BMAPK14KDRFGFR1DDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 GSK3B 324/4885MAPK14 109/4885KDR 658/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.